Predicted ligand sequences (modelled structure)


ADAN-name: LSB3_2A08-9.PDB (view again the scoring matrix)

Starting poly-Ala ligand sequence and binding properties                 (Help)

position 1 2 3 4 5 6 7 8
poly-Ala
A
A
 A A A A
A
A

Grey: Restrictive positions; only 1 or 2 residues predicted after FoldX analysis

Yellow: Tolerant positions; more than 10 residues predicted after FoldX analysis

 

WT ligand    

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Intraclash 0.476 ΔGbinding -3.598
TOTAL
 -3.122
Backbone Hb -1.913 Cis_bond 0.000
Sidechain Hb -1.912 Torsional clash 0.526
Van der Waals -3.767 Backbone clash 0.125
Electrostatics 0.210 Helix dipole 0.000
Solvation Polar 4.368 Water bridges -0.135
Solvation Hyd -4.858 Disulfide 0.000
VdW clashes 0.024 Electrost. Kon 0.280
Entropy sc 1.017 Part.cov.bonds 0.000
Entropy mc

2.563

 ΔGstability

8.271
       

Predicted ligand sequences for model [LSB3_2A08-9.PDB]

(from FoldX scoring matrices).
If your favourite sequence is not included in this list, please visit the ADAN section Prediction from a query sequence).
 
  LSB3_2A08-9.PDB  

(data)
# Predicted Sequences Value Calculate
1 RPYKVFRR 0.0
2 RPYKVLRR 0.12
3 RPYRVFRR 0.17
4 RPYKVPRR 0.18
5 RPWKVFRR 0.27
6 RPYRVLRR 0.29
7 RPYKMFRR 0.3
8 RPYKNFRR 0.32
9 RPYRVPRR 0.34
10 RPYMVFRR 0.37
11 RPFKVFRR 0.38
12 RPYKVMRR 0.38
13 RPWKVLRR 0.39
14 RPYKMLRR 0.42
15 RPYKNLRR 0.43
16 RPWRVFRR 0.44
17 RPWKVPRR 0.45
18 RPYRMFRR 0.47
19 RPYKMPRR 0.48
20 RPYRNFRR 0.48
21 RPYMVLRR 0.48
22 RPYKNPRR 0.49
23 RPYKEFRR 0.49
24 RPFKVLRR 0.5
25 RPYRVMRR 0.54
26 RPYMVPRR 0.54
27 RPWRVLRR 0.55
28 RPFRVFRR 0.55
29 RPFKVPRR 0.56
30 RPWKMFRR 0.57
31 RPWKNFRR 0.58
32 RPYRMLRR 0.58
33 RPYKELRR 0.6
34 RPYRNLRR 0.6
35 RPWRVPRR 0.61
36 RPWMVFRR 0.64
37 RPWKVMRR 0.64
38 RPYRMPRR 0.64
39 RPYREFRR 0.66
40 RPYRNPRR 0.66
41 RPYKMMRR 0.67
42 RPYKEPRR 0.67
43 RPFRVLRR 0.67
44 RPYMMFRR 0.67
45 RPYMNFRR 0.68
46 RPWKMLRR 0.68
47 RPFKMFRR 0.68
48 RPYKNMRR 0.69
49 RPWKNLRR 0.7
50 RPFKNFRR 0.7
51 RPFRVPRR 0.73
52 RPWKMPRR 0.74
53 RPYMVMRR 0.74
54 RPWRMFRR 0.74
55 RPWMVLRR 0.75
56 RPWRNFRR 0.75
57 RPFMVFRR 0.75
58 RPFKVMRR 0.76
59 RPWKEFRR 0.76
60 RPWKNPRR 0.76
61 RPYRELRR 0.77
62 RPYMMLRR 0.78
63 RPFKMLRR 0.8
64 RPYMNLRR 0.8
65 RPWMVPRR 0.81
66 RPWRVMRR 0.81
67 RPFKNLRR 0.82
68 RPYREPRR 0.83
69 RPYRMMRR 0.84
70 RPYMMPRR 0.84
71 RPWRMLRR 0.85
72 RPFRMFRR 0.85
73 RPYMEFRR 0.86
74 RPYKEMRR 0.86
75 RPYMNPRR 0.86
76 RPFKMPRR 0.86
77 RPYRNMRR 0.86
78 RPFRNFRR 0.87
79 RPWRNLRR 0.87
80 RPWKELRR 0.87
81 RPFMVLRR 0.87
82 RPFKEFRR 0.87
83 RPFKNPRR 0.88
84 RPWRMPRR 0.91
85 RPWREFRR 0.92
86 RPWKEPRR 0.93
87 RPWRNPRR 0.93
88 RPFMVPRR 0.93
89 RPFRVMRR 0.93
90 RPWKMMRR 0.94
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RPFKVLRR

1.97

-15.7

-13.73
2 RPWRVLRR

2.26

-15.77

-13.51
3 RPFKVPRR

1.86

-15.12

-13.26
4 RPFKVFRR

2.25

-15.38

-13.13
5 RPYMVFRR

1.91

-14.89

-12.98
6 RPYMVPRR

1.71

-14.6

-12.89
7 RPYKMPRR

1.89

-14.59

-12.7
8 RPYRVFRR

2.03

-14.64

-12.61
9 RPYMVLRR

1.74

-14.32

-12.58
10 RPFRVFRR

1.94

-14.23

-12.29
11 RPYKVFRR

1.81

-13.89

-12.08
12 RPYRNFRR

2.58

-14.64

-12.06
13 RPYRMFRR

1.9

-13.83

-11.93
14 RPYRVMRR

2.06

-13.67

-11.61
15 RPWKVLRR

1.77

-13.32

-11.55
16 RPYKVLRR

2.15

-13.65

-11.5
17 RPYRVPRR

2.01

-13.18

-11.17
18 RPYKVMRR

2.66

-13.72

-11.06
19 RPYKVPRR

1.8

-12.62

-10.82
20 RPYKNFRR

2.37

-13.04

-10.67
21 RPYRVLRR

1.85

-12.34

-10.49
22 RPYKNPRR

2.14

-12.6

-10.46
23 RPWKVFRR

1.74

-12.19

-10.45
24 RPWKVPRR

2.4

-12.57

-10.17
25 RPWKMFRR

1.87

-11.86

-9.99
26 RPYKNLRR

2.56

-12.42

-9.86
27 RPYKMLRR

1.84

-11.63

-9.79
28 RPYKMFRR

1.85

-11.59

-9.74
29 RPWRVFRR

1.79

-11.03

-9.24
30 RPYKEFRR

2.12

-10.12

-8.0

 NOTE: No more than 10 sequences can be selected for new calculations.

If your favourite sequence is not included in this list, please visit the ADAN section Prediction from a query sequence.

NOTE: No more than 10 sequences can be selected for new calculations.

If your favourite sequence is not included in this list, please visit the ADAN section Prediction from a query sequence.

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